SCHEMBL17538360

SCHEMBL17538360

COc1cc2c(cc1S)CCC(C)C2C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
TSHR P16473 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KCNN2 Q9H2S1 4/20 0.39
KCNN3 Q9UGI6 4/20 0.39
BRD4 O60885 2/20 0.39
KCNN1 Q92952 2/20 0.39
ATM Q13315 1/20 0.39
CHRNA7 P36544 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6280381 0.81 HTR2C (0.52) MAOATSHRCA1CA2
SCHEMBL16158423 0.81 MAOA (0.57) MAOATSHR
SCHEMBL19366286 0.77 HTR2A (0.48) MAOATSHRCA1CA2BRD4
SCHEMBL17538345 0.77 HTR2A (0.48) MAOATSHRCA1CA2BRD4
SCHEMBL15413032 0.76 MAOA (0.33) MAOATSHRCA1CA2ATM
SCHEMBL16158411 0.76 SMN1; SMN2 (0.44) MAOATSHRCA1CA2BRD4
SCHEMBL16158525 0.75 ATM (0.40) MAOATSHRATM
SCHEMBL17538356 0.75 NQO2 (0.45) MAOATSHRCA1CA2BRD4
SCHEMBL19067976 0.73 CHRNA7 (0.35) MAOATSHRCA1CA2KCNN2
SCHEMBL17538346 0.72 KMT2A (0.44) SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 US disclosed
US-9694005-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-04 US disclosed
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 MAOA 3899/4885TSHR 785/4885CA1 4054/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 MAOA 3899/4885TSHR 785/4885CA1 4054/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.